2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: 2-(4-methyl-2-oxo-thiazol-3-yl)ethyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid 2-(4-methyl-2-oxo-3-thiazolyl)ethyl ester IUPAC Name: 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid 2-(2-keto-4-methyl-4-thiazolin-3-yl)ethyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CCOC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CSC(=O)N1CCOC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H29N3O4S/c1-13-12-28-19(26)23(13)4-5-27-17(24)2-3-21-18(25)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h12,14-16H,2-11H2,1H3,(H2,21,22,25)